Geometry & MOs

Info

ID:	137053
PubChem CID:	52145013
Reduced:	SO2N7C16H21 (1)
Stoich.:	AB2C7D16E21 (1)
Weight, g/mol:	457.189609
ΔH_f, kcal/mol:	52.44
Dipole, Da:	9.55
IP(EA), eV:	-8.47(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[5-[2-(1,5-dimethylpyrazol-4-yl)ethyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-2-pyrrolidin-1-ylpyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CCCN1C(=CC=N1)C2=NN=C(N2C(C)C)SCC(=O)NC3=NOC=C3

DOS

IR

Vibrations